4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N-(cyclopenta-1,4-dien-1-ylmethyl)aniline

Systemtic Name: 4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N-(cyclopenta-1,4-dien-1-ylmethyl)aniline Openeye Name: 4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N-(cyclopenta-1,4-dien-1-ylmethyl)aniline CAS Name: 4-[4-(1-butyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]-N-(1-cyclopenta-1,4-dienylmethyl)aniline IUPAC Name: 4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-N-(cyclopenta-1,4-dien-1-ylmethyl)aniline Traditional Name: [4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]-(cyclopenta-1,4-dien-1-ylmethyl)amine Formula: C26H29N3+2 MolecularWeight: 383.52856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)NCC4=CCC=C4

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)NCC4=CCC=C4

InChI

InChI=1S/C26H28N3/c1-2-3-16-28-17-12-23(13-18-28)24-14-19-29(20-15-24)26-10-8-25(9-11-26)27-21-22-6-4-5-7-22/h4,6-15,17-20H,2-3,5,16,21H2,1H3/q+1/p+1